N'-hydroxy-3-methyl-4-(3-methylphenoxy)benzenecarboximidamide

C15H16N2O2 — CID 54934539

IUPACN'-hydroxy-3-methyl-4-(3-methylphenoxy)benzenecarboximidamide
SMILESCc1cccc(Oc2ccc(/C(N)=N/O)cc2C)c1
InChIInChI=1S/C15H16N2O2/c1-10-4-3-5-13(8-10)19-14-7-6-12(9-11(14)2)15(16)17-18/h3-9,18H,1-2H3,(H2,16,17)
InChIKeyIIABFSXIOYWPAA-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.19
Rot. Bonds3

About N'-hydroxy-3-methyl-4-(3-methylphenoxy)benzenecarboximidamide

N'-hydroxy-3-methyl-4-(3-methylphenoxy)benzenecarboximidamide (PubChem CID 54934539) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is N'-hydroxy-3-methyl-4-(3-methylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methyl-4-(3-methylphenoxy)benzenecarboximidamide
PubChem CID54934539
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC NameN'-hydroxy-3-methyl-4-(3-methylphenoxy)benzenecarboximidamide
SMILESCc1cccc(Oc2ccc(/C(N)=N/O)cc2C)c1
InChIInChI=1S/C15H16N2O2/c1-10-4-3-5-13(8-10)19-14-7-6-12(9-11(14)2)15(16)17-18/h3-9,18H,1-2H3,(H2,16,17)
InChIKeyIIABFSXIOYWPAA-UHFFFAOYSA-N
XLogP3.19
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-methylbenzenecarboximidamide
CID 162202893
N'-hydroxy-3-methyl-4-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 55031079
4-chloro-N'-hydroxy-2-(3-methylphenoxy)benzenecarboximidamide
CID 76984915
4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 60929088
4-(3-methoxyphenoxy)-3-methylbenzenecarbothioamide
CID 54933965
2-(2,4-dimethylphenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013736
N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide
CID 107930097
4-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188261
4-(3-bromophenoxy)-3-methylbenzenecarbothioamide
CID 54934108
N'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
CID 61176184
4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 76936695
3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide
CID 82799401

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methyl-4-(3-methylphenoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methyl-4-(3-methylphenoxy)benzenecarboximidamide (CID 54934539) is N'-hydroxy-3-methyl-4-(3-methylphenoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methyl-4-(3-methylphenoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methyl-4-(3-methylphenoxy)benzenecarboximidamide is Cc1cccc(Oc2ccc(/C(N)=N/O)cc2C)c1.
What is the InChIKey of N'-hydroxy-3-methyl-4-(3-methylphenoxy)benzenecarboximidamide?
The InChIKey is IIABFSXIOYWPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-4-3-5-13(8-10)19-14-7-6-12(9-11(14)2)15(16)17-18/h3-9,18H,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-3-methyl-4-(3-methylphenoxy)benzenecarboximidamide?
N'-hydroxy-3-methyl-4-(3-methylphenoxy)benzenecarboximidamide has a molecular weight of 256.30 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methyl-4-(3-methylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 54934539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).